(2E,3Z)-1-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]-2-ethylidene-N,N-diphenyl-3-prop-2-enylideneindol-5-amine

C57H48N4 — CID 155022456

IUPAC(2E,3Z)-1-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]-2-ethylidene-N,N-diphenyl-3-prop-2-enylideneindol-5-amine
SMILESC=C/C=c1\c(=C/C)n(-c2ccc(-c3cc(C)c(-c4cc(-c5ccc(C)cc5)nc(-c5ccc(C)cc5)n4)c(C)c3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc12
InChIInChI=1S/C57H48N4/c1-7-15-50-51-36-49(60(46-16-11-9-12-17-46)47-18-13-10-14-19-47)32-33-55(51)61(54(50)8-2)48-30-28-42(29-31-48)45-34-40(5)56(41(6)35-45)53-37-52(43-24-20-38(3)21-25-43)58-57(59-53)44-26-22-39(4)23-27-44/h7-37H,1H2,2-6H3/b50-15-,54-8+
InChIKeySCPKKBILILWPAV-NLHYBASISA-N
MW789.04 g/mol
LogP13.56
Rot. Bonds9

About (2E,3Z)-1-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]-2-ethylidene-N,N-diphenyl-3-prop-2-enylideneindol-5-amine

(2E,3Z)-1-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]-2-ethylidene-N,N-diphenyl-3-prop-2-enylideneindol-5-amine (PubChem CID 155022456) has the molecular formula C57H48N4 and a molecular weight of 789.04 g/mol. Its IUPAC name is (2E,3Z)-1-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]-2-ethylidene-N,N-diphenyl-3-prop-2-enylideneindol-5-amine.

Molecular Properties

Compound Name(2E,3Z)-1-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]-2-ethylidene-N,N-diphenyl-3-prop-2-enylideneindol-5-amine
PubChem CID155022456
Molecular FormulaC57H48N4
Molecular Weight789.04 g/mol
Exact Mass788.39
IUPAC Name(2E,3Z)-1-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]-2-ethylidene-N,N-diphenyl-3-prop-2-enylideneindol-5-amine
SMILESC=C/C=c1\c(=C/C)n(-c2ccc(-c3cc(C)c(-c4cc(-c5ccc(C)cc5)nc(-c5ccc(C)cc5)n4)c(C)c3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc12
InChIInChI=1S/C57H48N4/c1-7-15-50-51-36-49(60(46-16-11-9-12-17-46)47-18-13-10-14-19-47)32-33-55(51)61(54(50)8-2)48-30-28-42(29-31-48)45-34-40(5)56(41(6)35-45)53-37-52(43-24-20-38(3)21-25-43)58-57(59-53)44-26-22-39(4)23-27-44/h7-37H,1H2,2-6H3/b50-15-,54-8+
InChIKeySCPKKBILILWPAV-NLHYBASISA-N
XLogP13.56
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.04
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2E,3Z)-1-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]-2-ethylidene-N,N-diphenyl-3-prop-2-enylideneindol-5-amine with MolForge

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Related Compounds

9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-3,5-dimethylphenyl]phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 126730125
9-[4-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-2,6-dimethylphenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]-3,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-2,6-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 161377568
9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine
CID 126730142
9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine
CID 126730144
9-[4-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730580
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730632
9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 126730253
9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine
CID 126730276
9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N,N-diphenylcarbazol-3-amine;4-methyl-2,6-diphenylpyrimidine;9-(4-methylphenyl)-N,N-diphenylcarbazol-3-amine
CID 158871700
2-(2,6-diphenylpyrimidin-4-yl)-5-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]benzene-1,3-dicarbonitrile
CID 126730712
2-(2,6-diphenylpyrimidin-4-yl)-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 126730724
9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-3,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730617

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-1-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]-2-ethylidene-N,N-diphenyl-3-prop-2-enylideneindol-5-amine?
The IUPAC name of (2E,3Z)-1-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]-2-ethylidene-N,N-diphenyl-3-prop-2-enylideneindol-5-amine (CID 155022456) is (2E,3Z)-1-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]-2-ethylidene-N,N-diphenyl-3-prop-2-enylideneindol-5-amine.
What is the SMILES notation for (2E,3Z)-1-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]-2-ethylidene-N,N-diphenyl-3-prop-2-enylideneindol-5-amine?
The canonical SMILES for (2E,3Z)-1-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]-2-ethylidene-N,N-diphenyl-3-prop-2-enylideneindol-5-amine is C=C/C=c1\c(=C/C)n(-c2ccc(-c3cc(C)c(-c4cc(-c5ccc(C)cc5)nc(-c5ccc(C)cc5)n4)c(C)c3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc12.
What is the InChIKey of (2E,3Z)-1-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]-2-ethylidene-N,N-diphenyl-3-prop-2-enylideneindol-5-amine?
The InChIKey is SCPKKBILILWPAV-NLHYBASISA-N. The full InChI is InChI=1S/C57H48N4/c1-7-15-50-51-36-49(60(46-16-11-9-12-17-46)47-18-13-10-14-19-47)32-33-55(51)61(54(50)8-2)48-30-28-42(29-31-48)45-34-40(5)56(41(6)35-45)53-37-52(43-24-20-38(3)21-25-43)58-57(59-53)44-26-22-39(4)23-27-44/h7-37H,1H2,2-6H3/b50-15-,54-8+.
What are the key properties of (2E,3Z)-1-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]-2-ethylidene-N,N-diphenyl-3-prop-2-enylideneindol-5-amine?
(2E,3Z)-1-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]-2-ethylidene-N,N-diphenyl-3-prop-2-enylideneindol-5-amine has a molecular weight of 789.04 g/mol, XLogP of 13.56, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-1-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]-2-ethylidene-N,N-diphenyl-3-prop-2-enylideneindol-5-amine is sourced from PubChem (CID 155022456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).